M4AU36_XIPMA Loading...

Sterile alpha motif domain containing 13

AlphaFold DB , UniProt , Accession M4AU36, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 108 aa.

						>M4AU36_XIPMA|M4AU36
MKNYCNVTESSMEDKANGSVDTKSPVENGQLPDPSNWGVADVVNYFKATGFEEQATAFQDQEIDGKSLLLMTRNDVLTGLSIKLGPALKIYEYHVKPLQTQHLKSNAS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	35.5	Very low	223 Å²	223	155.2 Å²	155.2	100%	1.099	84%	0.835	S	S	*	*				0	122.6	0	-94.2	57.9	176.4	0	0	108.4	N3	M1-N3 PolarHBondContact O-N 3.08Å
2	K	30.4	Very low	36	Very low	181 Å²	181	158.2 Å²	158.2	79%	0.787	84%	0.844	S	S	*	*			trans	-80.2	110.9	178.6	-68.6	180	176.5	-177.2	0	108.5	Y4	K2-Y4 HydrophobicContact CB-CD2 4.22Å; K2-Y4 HydrophobicContact CB-CE2 3.83Å; K2-Y4 HydrophobicContact CD-CE2 4.3Å
3	N	33.9	Very low	36.2	Very low	156 Å²	156	160.2 Å²	160.2	83%	0.834	85%	0.845	S	S	*	*			trans	-75.9	118	169.6	-64.1	-41.4	0	0	0	108.5	M1	M1-N3 PolarHBondContact O-N 3.08Å
4	Y	30.8	Very low	36.2	Very low	191 Å²	191	160.9 Å²	160.9	75%	0.749	85%	0.85	S	S	*	*			trans	-117.4	116.7	159.5	-69.5	-89.5	0	0	0	103.2	K2	K2-Y4 HydrophobicContact CB-CD2 4.22Å; K2-Y4 HydrophobicContact CB-CE2 3.83Å; K2-Y4 HydrophobicContact CD-CE2 4.3Å
5	C	39.8	Very low	36.9	Very low	116 Å²	116	163.8 Å²	163.8	78%	0.784	85%	0.852	S	S	*	*				-148.6	131.4	53	-64	0	0	0	0	111.3
6	N	35	Very low	37.2	Very low	170 Å²	170	159.8 Å²	159.8	91%	0.909	85%	0.851	S	S	*	*			trans	-117.3	113.1	154.7	-79.4	-28.9	0	0	0	106.3
7	V	39.1	Very low	37.5	Very low	142 Å²	142	160.5 Å²	160.5	86%	0.861	86%	0.855	S	S	*	*			trans	-138.7	106.1	162	-174.3	0	0	0	0	107.5
8	T	38.6	Very low	37.4	Very low	133 Å²	133	154.8 Å²	154.8	82%	0.816	84%	0.84	S	S	*	*			trans	-100.2	127.3	162.4	44	0	0	0	0	109
9	E	36.7	Very low	37.5	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	84%	0.835	S	S	*	*			trans	77	112.3	140.1	-151.4	166.5	-145.6	0	0	120.8
10	S	33.7	Very low	37.9	Very low	116 Å²	116	150.4 Å²	150.4	81%	0.811	83%	0.828	S	S	*	*				-153.9	107.2	129.3	68.9	0	0	0	0	111.4
11	S	35.5	Very low	38.1	Very low	99 Å²	99	150.1 Å²	150.1	69%	0.692	83%	0.825	S	S	*	*			trans	20.6	122.3	147	-46.9	0	0	0	0	121.6
12	M	40.9	Very low	38.5	Very low	191 Å²	191	144.7 Å²	144.7	94%	0.941	81%	0.805	S	S	*	*				179.3	128.8	109.9	-91.9	165.8	-163.4	0	0	109.5
13	E	39	Very low	39.2	Very low	184 Å²	184	143.3 Å²	143.3	86%	0.86	80%	0.799	S	S	*	*			trans	-76.2	130.3	176	-67.2	178.9	136.5	0	0	110.4
14	D	36.6	Very low	40.1	Very low	171 Å²	171	140.1 Å²	140.1	91%	0.914	79%	0.789	S	S	*	*			trans	-141.1	126.9	145.5	-99.5	-33.5	0	0	0	109.4
15	K	46.3	Very low	41.5	Very low	204 Å²	204	132.7 Å²	132.7	89%	0.887	76%	0.764	S	S	*	*			trans	-77.3	120.9	-176.5	-71	-164.8	175.7	177.1	0	110.7
16	A	41.8	Very low	42.3	Very low	100 Å²	100	130.7 Å²	130.7	83%	0.826	75%	0.748	S	S	*	*			trans	-141	122	149.6	0	0	0	0	0	109.7
17	N	41.8	Very low	43.2	Very low	172 Å²	172	128.3 Å²	128.3	92%	0.92	73%	0.732	S	S	*	*			trans	-65.8	123.5	179	179.6	30.3	0	0	0	110.9
18	G	35.6	Very low	44	Very low	57 Å²	57	129 Å²	129	59%	0.588	73%	0.731	S	S	*	*			trans	178.1	84.6	173.4	0	0	0	0	0	108.3	V20	G18-V20 PolarHBondContact O-N 3.24Å
19	S	40.1	Very low	45.4	Very low	107 Å²	107	126 Å²	126	75%	0.748	73%	0.726	S	S	*	*			trans	-63.5	82.4	172.1	-175.4	0	0	0	0	108.8	D21	S19-D21 PolarHBondContact O-N 2.84Å
20	V	45.5	Very low	47.3	Very low	115 Å²	115	123.2 Å²	123.2	70%	0.697	71%	0.713	S	S	*	*			trans	-80.8	108.2	159.5	-178.9	0	0	0	0	104	G18 T22	G18-V20 PolarHBondContact O-N 3.24Å; V20-T22 PolarHBondContact O-N 3.42Å; V20-T22 PolarHBondContact O-OG1 3.14Å
21	D	41.2	Very low	49.7	Very low	144 Å²	144	120.1 Å²	120.1	77%	0.77	69%	0.687	S	S	*	*			trans	-59.5	87.8	167.2	-76.8	-61	0	0	0	107.8	S19 K23	S19-D21 PolarHBondContact O-N 2.84Å; D21-K23 PolarHBondContact O-N 3.33Å
22	T	46.1	Very low	52.3	Low	110 Å²	110	117.1 Å²	117.1	68%	0.675	67%	0.665	S	S	*	*			trans	-70.5	79.7	171.7	-43.7	0	0	0	0	106.5	V20 S24	V20-T22 PolarHBondContact O-N 3.42Å; V20-T22 PolarHBondContact O-OG1 3.14Å; T22-S24 PolarHBondContact O-N 3.16Å
23	K	44.9	Very low	54.8	Low	151 Å²	151	110.8 Å²	110.8	66%	0.657	64%	0.635	S	S	*	*			trans	-60	109.3	170.7	-147	-174.2	-166.8	-163.8	0	105.6	D21 E27	D21-K23 PolarHBondContact O-N 3.33Å; K23-E27 IonicContact NZ-OE2 2.7Å; K23-E27 PolarHBondContact NZ-OE2 3.33Å
24	S	52.6	Low	57.6	Low	89 Å²	89	102 Å²	102	62%	0.622	59%	0.594	S	S	*	*			trans	-45.6	137.4	172.3	-75.4	0	0	0	0	108.7	T22 V26	T22-S24 PolarHBondContact O-N 3.16Å; S24-V26 PolarHBondContact O-N 3.24Å
25	P	59.9	Low	60.4	Low	35 Å²	35	95 Å²	95	23%	0.227	56%	0.559	C	S	.	*	S	Bend	trans	-64.1	7.9	-175	-21.2	31.9	0	0	0	114.9	P32 Y45 A48 T49	P25-P32 WeakPolarHBondContact O-CD 3.46Å; P25-Y45 HydrophobicContact CB-CD2 4.09Å; P25-Y45 HydrophobicContact CB-CE2 3.78Å; P25-A48 HydrophobicContact CG-CB 4.19Å; P25-T49 HydrophobicContact CB-CG2 4.31Å; P25-T49 HydrophobicContact CG-CG2 3.82Å
26	V	56.5	Low	62.8	Low	74 Å²	74	92.3 Å²	92.3	45%	0.448	55%	0.554	S	S	.	*			trans	-129.8	94.5	-172	-144.7	0	0	0	0	108	S24 G29 Q30	S24-V26 PolarHBondContact O-N 3.24Å; V26-G29 VanDerWaalsContact CG1-C 3.5Å; V26-Q30 WeakPolarHBondContact CG1-O 3.3Å
27	E	53.8	Low	65.5	Low	120 Å²	120	89.8 Å²	89.8	56%	0.561	52%	0.523	S	S	*	.	B	Isolated β-bridge	trans	-84.7	119.3	168.7	-167.1	170.7	153.4	0	0	107.2	K23 G29 Q30	K23-E27 IonicContact NZ-OE2 2.7Å; K23-E27 PolarHBondContact NZ-OE2 3.33Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-G29 PolarHBondContact O-N 3.14Å; E27-Q30 PolarHBondContact O-N 2.88Å
28	N	56.9	Low	68.2	Low	157 Å²	157	83 Å²	83	84%	0.84	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	25.1	179.2	-55.1	-42.6	0	0	0	116.4	Q30	N28-Q30 PolarHBondContact O-N 3.44Å
29	G	68.1	Low	71.2	Confident	70 Å²	70	82 Å²	82	72%	0.722	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	3.9	-179.8	0	0	0	0	0	114.1	V26 E27	V26-G29 VanDerWaalsContact CG1-C 3.5Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-G29 PolarHBondContact O-N 3.14Å
30	Q	75.6	Confident	74	Confident	122 Å²	122	79.5 Å²	79.5	57%	0.57	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-100.1	137.4	173.2	-152.9	170.2	-76.3	0	0	109.6	V26 E27 N28	V26-Q30 WeakPolarHBondContact CG1-O 3.3Å; E27-Q30 PolarHBondContact O-N 2.88Å; N28-Q30 PolarHBondContact O-N 3.44Å
31	L	84.8	Confident	76.5	Confident	50 Å²	50	77.7 Å²	77.7	26%	0.262	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-63.7	160.6	170	-81.1	171.4	0	0	0	109.1	P97 L98 Q101	L31-P97 HydrophobicContact CD1-CB 3.44Å; L31-P97 VanDerWaalsContact CD1-CB 3.44Å; L31-L98 HydrophobicContact CB-CD2 4.37Å; L31-Q101 VanDerWaalsContact CA-OE1 3.24Å; L31-Q101 PolarHBondContact O-NE2 2.79Å; L31-Q101 PolarHBondContact O-OE1 3.02Å
32	P	90.4	Very high	79.3	Confident	37 Å²	37	70.8 Å²	70.8	24%	0.24	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-81	154.1	177.6	32.8	-33.2	0	0	0	110.8	P25 P34 W37 Y45 L98	P25-P32 WeakPolarHBondContact O-CD 3.46Å; P32-P34 WeakPolarHBondContact O-CD 3.33Å; P32-W37 HydrophobicContact CB-CH2 4.34Å; P32-W37 HydrophobicContact CB-CZ2 3.63Å; P32-W37 HydrophobicContact CG-CH2 3.59Å; P32-W37 HydrophobicContact CG-CZ2 3.38Å; P32-Y45 HydrophobicContact CG-CD2 4.27Å; P32-Y45 HydrophobicContact CG-CE2 4Å; P32-L98 HydrophobicContact CG-CD2 4.06Å; P32-L98 VanDerWaalsContact O-CD2 3.22Å; P32-L98 WeakPolarHBondContact O-CD2 3.18Å
33	D	94	Very high	81.8	Confident	57 Å²	57	66.1 Å²	66.1	31%	0.305	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-87	117.9	169.9	-179.3	13.4	0	0	0	110.1	S35 H102	D33-S35 VanDerWaalsContact C-N 3.28Å; D33-S35 VanDerWaalsContact CG-OG 3.25Å; D33-S35 PolarHBondContact O-N 2.8Å; D33-S35 WeakPolarHBondContact OD1-CB 3.42Å; D33-S35 PolarHBondContact OD1-N 3.38Å; D33-S35 VanDerWaalsContact OD1-N 3.09Å; D33-S35 PolarHBondContact OD1-OG 2.65Å; D33-S35 PolarHBondContact OD2-OG 3.11Å; D33-H102 IonicContact OD1-CE1 3.77Å; D33-H102 IonicContact OD1-CG 3.36Å; D33-H102 IonicContact OD1-ND1 2.79Å; D33-H102 PolarHBondContact OD1-ND1 3.32Å; D33-H102 IonicContact OD2-CE1 3.99Å; D33-H102 IonicContact OD2-ND1 3.44Å; D33-H102 PolarHBondContact OD2-ND1 3.16Å
34	P	96.6	Very high	84.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-82.8	3.1	-178.5	36.2	-38.8	0	0	0	114	P32 N36 W37 G65 L68 L69 L98	P32-P34 WeakPolarHBondContact O-CD 3.33Å; P34-N36 PolarHBondContact O-N 3Å; P34-W37 HydrophobicContact CB-CB 4.44Å; P34-W37 HydrophobicContact CB-CD2 3.56Å; P34-W37 HydrophobicContact CB-CE3 3.46Å; P34-W37 VanDerWaalsContact CB-CE3 3.46Å; P34-W37 HydrophobicContact CB-CG 4.01Å; P34-W37 HydrophobicContact CB-CH2 4.36Å; P34-W37 HydrophobicContact CB-CZ2 4.48Å; P34-W37 HydrophobicContact CB-CZ3 3.88Å; P34-W37 WeakPolarHBondContact O-CB 3.48Å; P34-W37 PolarHBondContact O-N 3.23Å; P34-G65 VanDerWaalsContact O-CA 3.23Å; P34-G65 WeakPolarHBondContact O-CA 3.29Å; P34-L68 HydrophobicContact CB-CD2 4.4Å; P34-L69 HydrophobicContact CG-CD1 4.11Å; P34-L69 HydrophobicContact CG-CD2 3.59Å; P34-L69 HydrophobicContact CG-CG 3.76Å; P34-L98 HydrophobicContact CG-CB 4.32Å
35	S	96.3	Very high	86.5	Confident	24 Å²	24	59.8 Å²	59.8	17%	0.168	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-52.2	-27.9	-173.3	58.7	0	0	0	0	115.9	D33	D33-S35 VanDerWaalsContact C-N 3.28Å; D33-S35 VanDerWaalsContact CG-OG 3.25Å; D33-S35 PolarHBondContact O-N 2.8Å; D33-S35 WeakPolarHBondContact OD1-CB 3.42Å; D33-S35 PolarHBondContact OD1-N 3.38Å; D33-S35 VanDerWaalsContact OD1-N 3.09Å; D33-S35 PolarHBondContact OD1-OG 2.65Å; D33-S35 PolarHBondContact OD2-OG 3.11Å
36	N	96.9	Very high	88.3	Confident	147 Å²	147	58.1 Å²	58.1	79%	0.786	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-112.4	9.1	179	-63.2	-39.1	0	0	0	114	P34	P34-N36 PolarHBondContact O-N 3Å
37	W	98.5	Very high	90.3	Very high	47 Å²	47	58.9 Å²	58.9	18%	0.178	34%	0.335	C	S	.	.			trans	-70.4	133.8	179.8	-74.2	4.8	0	0	0	111.7	P32 P34 D41 V42 Y45 G65 L68 L98	P32-W37 HydrophobicContact CB-CH2 4.34Å; P32-W37 HydrophobicContact CB-CZ2 3.63Å; P32-W37 HydrophobicContact CG-CH2 3.59Å; P32-W37 HydrophobicContact CG-CZ2 3.38Å; P34-W37 HydrophobicContact CB-CB 4.44Å; P34-W37 HydrophobicContact CB-CD2 3.56Å; P34-W37 HydrophobicContact CB-CE3 3.46Å; P34-W37 VanDerWaalsContact CB-CE3 3.46Å; P34-W37 HydrophobicContact CB-CG 4.01Å; P34-W37 HydrophobicContact CB-CH2 4.36Å; P34-W37 HydrophobicContact CB-CZ2 4.48Å; P34-W37 HydrophobicContact CB-CZ3 3.88Å; P34-W37 WeakPolarHBondContact O-CB 3.48Å; P34-W37 PolarHBondContact O-N 3.23Å; W37-D41 HydrophobicContact CB-CB 3.76Å; W37-D41 HydrophobicContact CD2-CB 4.1Å; W37-D41 HydrophobicContact CG-CB 3.71Å; W37-V42 HydrophobicContact CB-CG2 4.3Å; W37-V42 HydrophobicContact CE3-CG2 3.97Å; W37-Y45 HydrophobicContact CH2-CD1 4.28Å; W37-Y45 AromaticContact CH2-CD2 3.41Å; W37-Y45 HydrophobicContact CH2-CD2 3.41Å; W37-Y45 VanDerWaalsContact CH2-CD2 3.41Å; W37-Y45 HydrophobicContact CH2-CE2 4.02Å; W37-Y45 AromaticContact CH2-CG 3.54Å; W37-Y45 HydrophobicContact CH2-CG 3.54Å; W37-Y45 HydrophobicContact CZ2-CD2 4.31Å; W37-Y45 HydrophobicContact CZ3-CD1 4.16Å; W37-Y45 HydrophobicContact CZ3-CD2 4.08Å; W37-Y45 AromaticContact CZ3-CG 3.71Å; W37-Y45 HydrophobicContact CZ3-CG 3.71Å; W37-G65 PolarHBondContact O-N 2.91Å; W37-L68 HydrophobicContact CZ3-CD2 4.45Å; W37-L98 HydrophobicContact CH2-CD2 4.47Å; W37-L98 HydrophobicContact CZ3-CD1 4.44Å
38	G	98.6	Very high	92.3	Very high	31 Å²	31	55.7 Å²	55.7	32%	0.32	33%	0.329	S	S	.	.			trans	-79.7	176.9	161.8	0	0	0	0	0	111.5	A40 D41 V42	G38-A40 VanDerWaalsContact C-N 3.28Å; G38-A40 PolarHBondContact O-N 3.34Å; G38-D41 PolarHBondContact N-OD2 3.47Å; G38-D41 PolarHBondContact O-N 3.08Å; G38-D41 VanDerWaalsContact O-N 3.16Å; G38-V42 PolarHBondContact O-N 3.07Å
39	V	98.7	Very high	94.1	Very high	34 Å²	34	49.9 Å²	49.9	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-42.8	177.8	-177.2	0	0	0	0	111.5	D41 V42 V43 E62 D64	V39-D41 VanDerWaalsContact C-N 3.3Å; V39-D41 PolarHBondContact O-N 3.21Å; V39-V42 PolarHBondContact O-N 2.76Å; V39-V43 HydrophobicContact CG1-CG2 4.35Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.3Å; V39-V43 PolarHBondContact O-N 3.29Å; V39-E62 HydrophobicContact CG2-CB 4.49Å; V39-D64 HydrophobicContact CG2-CB 4.25Å
40	A	98.5	Very high	95.5	Very high	55 Å²	55	49.6 Å²	49.6	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-36.8	179.5	0	0	0	0	0	112.7	G38 V43 N44	G38-A40 VanDerWaalsContact C-N 3.28Å; G38-A40 PolarHBondContact O-N 3.34Å; A40-V43 PolarHBondContact O-N 3.2Å; A40-N44 VanDerWaalsContact O-CB 3.3Å; A40-N44 WeakPolarHBondContact O-CB 3.34Å; A40-N44 PolarHBondContact O-N 3.36Å; A40-N44 PolarHBondContact O-ND2 2.96Å; A40-N44 VanDerWaalsContact O-ND2 3.14Å
41	D	98.6	Very high	96.6	Very high	77 Å²	77	45 Å²	45	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-41.7	178.5	-57.9	-53.6	0	0	0	111.2	W37 G38 V39 V43 N44 Y45	W37-D41 HydrophobicContact CB-CB 3.76Å; W37-D41 HydrophobicContact CD2-CB 4.1Å; W37-D41 HydrophobicContact CG-CB 3.71Å; G38-D41 PolarHBondContact N-OD2 3.47Å; G38-D41 PolarHBondContact O-N 3.08Å; G38-D41 VanDerWaalsContact O-N 3.16Å; V39-D41 VanDerWaalsContact C-N 3.3Å; V39-D41 PolarHBondContact O-N 3.21Å; D41-V43 PolarHBondContact O-N 3.31Å; D41-N44 PolarHBondContact O-N 3.09Å; D41-Y45 WeakPolarHBondContact O-CB 3.38Å; D41-Y45 PolarHBondContact O-N 3.49Å
42	V	98.5	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-47.9	174.1	175.5	0	0	0	0	110.5	W37 G38 V39 Y45 F46 F58 I63 L68	W37-V42 HydrophobicContact CB-CG2 4.3Å; W37-V42 HydrophobicContact CE3-CG2 3.97Å; G38-V42 PolarHBondContact O-N 3.07Å; V39-V42 PolarHBondContact O-N 2.76Å; V42-Y45 PolarHBondContact O-N 2.91Å; V42-F46 HydrophobicContact CG1-CD2 3.95Å; V42-F46 HydrophobicContact CG1-CE2 3.94Å; V42-F46 VanDerWaalsContact O-CD2 3.29Å; V42-F46 WeakPolarHBondContact O-CD2 3.45Å; V42-F46 PolarHBondContact O-N 2.91Å; V42-F46 VanDerWaalsContact O-N 3.12Å; V42-F58 HydrophobicContact CG1-CB 4.06Å; V42-F58 HydrophobicContact CG1-CD1 3.85Å; V42-F58 HydrophobicContact CG1-CG 4.12Å; V42-I63 WeakPolarHBondContact CG2-O 3.48Å; V42-L68 HydrophobicContact CG1-CD1 4.45Å; V42-L68 HydrophobicContact CG1-CD2 4.42Å; V42-L68 HydrophobicContact CG2-CD2 4.39Å
43	V	98.5	Very high	97.5	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-48.6	178.5	172.5	0	0	0	0	110.7	V39 A40 D41 Y45 F46 K47 A55 F58 Q59	V39-V43 HydrophobicContact CG1-CG2 4.35Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.3Å; V39-V43 PolarHBondContact O-N 3.29Å; A40-V43 PolarHBondContact O-N 3.2Å; D41-V43 PolarHBondContact O-N 3.31Å; V43-Y45 VanDerWaalsContact C-N 3.32Å; V43-Y45 PolarHBondContact O-N 2.93Å; V43-F46 PolarHBondContact O-N 3.37Å; V43-K47 HydrophobicContact CG1-CD 4.19Å; V43-K47 WeakPolarHBondContact O-CG 3.23Å; V43-K47 PolarHBondContact O-N 3.36Å; V43-A55 HydrophobicContact CG1-CB 4.11Å; V43-F58 HydrophobicContact CG2-CB 4.46Å; V43-Q59 HydrophobicContact CG2-CB 3.72Å
44	N	98.1	Very high	97.7	Very high	93 Å²	93	52.1 Å²	52.1	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-39.1	-180	-72.5	-23.8	0	0	0	111.9	A40 D41 K47 A48	A40-N44 VanDerWaalsContact O-CB 3.3Å; A40-N44 WeakPolarHBondContact O-CB 3.34Å; A40-N44 PolarHBondContact O-N 3.36Å; A40-N44 PolarHBondContact O-ND2 2.96Å; A40-N44 VanDerWaalsContact O-ND2 3.14Å; D41-N44 PolarHBondContact O-N 3.09Å; N44-K47 PolarHBondContact O-N 3.3Å; N44-A48 VanDerWaalsContact O-CB 3.3Å; N44-A48 WeakPolarHBondContact O-CB 3.36Å; N44-A48 PolarHBondContact O-N 2.75Å
45	Y	98.1	Very high	97.8	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.059	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-51.2	174.8	174.3	-94.6	0	0	0	111.5	P25 P32 W37 D41 V42 V43 K47 A48 T49 H94 L98	P25-Y45 HydrophobicContact CB-CD2 4.09Å; P25-Y45 HydrophobicContact CB-CE2 3.78Å; P32-Y45 HydrophobicContact CG-CD2 4.27Å; P32-Y45 HydrophobicContact CG-CE2 4Å; W37-Y45 HydrophobicContact CH2-CD1 4.28Å; W37-Y45 AromaticContact CH2-CD2 3.41Å; W37-Y45 HydrophobicContact CH2-CD2 3.41Å; W37-Y45 VanDerWaalsContact CH2-CD2 3.41Å; W37-Y45 HydrophobicContact CH2-CE2 4.02Å; W37-Y45 AromaticContact CH2-CG 3.54Å; W37-Y45 HydrophobicContact CH2-CG 3.54Å; W37-Y45 HydrophobicContact CZ2-CD2 4.31Å; W37-Y45 HydrophobicContact CZ3-CD1 4.16Å; W37-Y45 HydrophobicContact CZ3-CD2 4.08Å; W37-Y45 AromaticContact CZ3-CG 3.71Å; W37-Y45 HydrophobicContact CZ3-CG 3.71Å; D41-Y45 WeakPolarHBondContact O-CB 3.38Å; D41-Y45 PolarHBondContact O-N 3.49Å; V42-Y45 PolarHBondContact O-N 2.91Å; V43-Y45 VanDerWaalsContact C-N 3.32Å; V43-Y45 PolarHBondContact O-N 2.93Å; Y45-K47 VanDerWaalsContact C-N 3.34Å; Y45-K47 PolarHBondContact O-N 3.43Å; Y45-A48 PolarHBondContact O-N 3.24Å; Y45-T49 HydrophobicContact CD1-CG2 4.45Å; Y45-T49 HydrophobicContact CD2-CG2 4.41Å; Y45-T49 HydrophobicContact CE1-CG2 4.05Å; Y45-T49 HydrophobicContact CE2-CG2 4.04Å; Y45-T49 WeakPolarHBondContact O-CG2 3.31Å; Y45-T49 PolarHBondContact O-N 3.5Å; Y45-T49 PolarHBondContact O-OG1 3.28Å; Y45-H94 HydrophobicContact CE1-CB 4.09Å; Y45-H94 AromaticContact CE1-ND1 3.55Å; Y45-H94 AromaticContact CZ-ND1 3.58Å; Y45-H94 PolarHBondContact OH-ND1 2.87Å; Y45-L98 HydrophobicContact CD1-CD1 4.46Å; Y45-L98 HydrophobicContact CE1-CD1 3.86Å
46	F	98.1	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-32.8	-178.8	-78.6	-68.2	0	0	0	113.1	V42 V43 T49 G50 F51 A55 F58 L68 I90 H94 V95	V42-F46 HydrophobicContact CG1-CD2 3.95Å; V42-F46 HydrophobicContact CG1-CE2 3.94Å; V42-F46 VanDerWaalsContact O-CD2 3.29Å; V42-F46 WeakPolarHBondContact O-CD2 3.45Å; V42-F46 PolarHBondContact O-N 2.91Å; V42-F46 VanDerWaalsContact O-N 3.12Å; V43-F46 PolarHBondContact O-N 3.37Å; F46-T49 WeakPolarHBondContact CA-OG1 3.29Å; F46-T49 PolarHBondContact O-N 2.91Å; F46-T49 PolarHBondContact O-OG1 3.27Å; F46-G50 PolarHBondContact O-N 3.39Å; F46-F51 HydrophobicContact CB-CB 4.31Å; F46-F51 HydrophobicContact CD1-CB 4.45Å; F46-F51 HydrophobicContact CD1-CD2 4.43Å; F46-F51 CarbonylContact O-C 3.56Å; F46-F51 WeakPolarHBondContact O-CA 3.3Å; F46-F51 WeakPolarHBondContact O-CB 3.39Å; F46-F51 PolarHBondContact O-N 3.42Å; F46-A55 HydrophobicContact CB-CB 4.09Å; F46-F58 HydrophobicContact CD1-CE2 4.46Å; F46-F58 HydrophobicContact CD2-CD1 4.33Å; F46-F58 AromaticContact CD2-CD2 3.97Å; F46-F58 HydrophobicContact CD2-CD2 3.97Å; F46-F58 HydrophobicContact CD2-CE1 4.18Å; F46-F58 AromaticContact CD2-CE2 3.79Å; F46-F58 HydrophobicContact CD2-CE2 3.79Å; F46-F58 HydrophobicContact CD2-CG 4.22Å; F46-F58 AromaticContact CD2-CZ 3.9Å; F46-F58 HydrophobicContact CD2-CZ 3.9Å; F46-F58 HydrophobicContact CE1-CZ 4.29Å; F46-F58 HydrophobicContact CE2-CD1 4.07Å; F46-F58 HydrophobicContact CE2-CD2 4.35Å; F46-F58 AromaticContact CE2-CE1 3.6Å; F46-F58 HydrophobicContact CE2-CE1 3.6Å; F46-F58 AromaticContact CE2-CE2 3.91Å; F46-F58 HydrophobicContact CE2-CE2 3.91Å; F46-F58 HydrophobicContact CE2-CG 4.42Å; F46-F58 AromaticContact CE2-CZ 3.5Å; F46-F58 HydrophobicContact CE2-CZ 3.5Å; F46-F58 HydrophobicContact CG-CD2 4.44Å; F46-F58 HydrophobicContact CG-CE2 4.09Å; F46-F58 HydrophobicContact CG-CZ 4.45Å; F46-F58 HydrophobicContact CZ-CE1 4.11Å; F46-F58 HydrophobicContact CZ-CE2 4.3Å; F46-F58 AromaticContact CZ-CZ 3.72Å; F46-F58 HydrophobicContact CZ-CZ 3.72Å; F46-L68 HydrophobicContact CE2-CD1 4.04Å; F46-L68 HydrophobicContact CE2-CD2 4.48Å; F46-L68 HydrophobicContact CZ-CD1 4.35Å; F46-I90 HydrophobicContact CE1-CG1 4.39Å; F46-I90 HydrophobicContact CE1-CG2 3.78Å; F46-I90 HydrophobicContact CZ-CG2 4.06Å; F46-H94 HydrophobicContact CE1-CB 3.58Å; F46-H94 AromaticContact CE1-CG 3.96Å; F46-H94 HydrophobicContact CZ-CB 4.08Å; F46-V95 HydrophobicContact CZ-CG2 4.14Å
47	K	98	Very high	97.9	Very high	89 Å²	89	48.1 Å²	48.1	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-60.6	-50.5	168.9	-71.8	-178.1	174.2	-172.6	0	111.2	V43 N44 Y45 T49 G50 E52 A55	V43-K47 HydrophobicContact CG1-CD 4.19Å; V43-K47 WeakPolarHBondContact O-CG 3.23Å; V43-K47 PolarHBondContact O-N 3.36Å; N44-K47 PolarHBondContact O-N 3.3Å; Y45-K47 VanDerWaalsContact C-N 3.34Å; Y45-K47 PolarHBondContact O-N 3.43Å; K47-T49 PolarHBondContact O-N 3.31Å; K47-G50 PolarHBondContact O-N 3.41Å; K47-E52 HydrophobicContact CG-CB 4.29Å; K47-E52 HydrophobicContact CG-CG 4.16Å; K47-A55 HydrophobicContact CG-CB 3.68Å
48	A	96.3	Very high	97.9	Very high	53 Å²	53	45.9 Å²	45.9	44%	0.438	27%	0.274	S	S	.	.	H	α-helix	trans	-64.8	-22.7	-178.6	0	0	0	0	0	113.6	P25 N44 Y45	P25-A48 HydrophobicContact CG-CB 4.19Å; N44-A48 VanDerWaalsContact O-CB 3.3Å; N44-A48 WeakPolarHBondContact O-CB 3.36Å; N44-A48 PolarHBondContact O-N 2.75Å; Y45-A48 PolarHBondContact O-N 3.24Å
49	T	95.4	Very high	97.9	Very high	35 Å²	35	48.5 Å²	48.5	22%	0.215	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	7.2	175.8	59.9	0	0	0	0	114	P25 Y45 F46 K47 H94	P25-T49 HydrophobicContact CB-CG2 4.31Å; P25-T49 HydrophobicContact CG-CG2 3.82Å; Y45-T49 HydrophobicContact CD1-CG2 4.45Å; Y45-T49 HydrophobicContact CD2-CG2 4.41Å; Y45-T49 HydrophobicContact CE1-CG2 4.05Å; Y45-T49 HydrophobicContact CE2-CG2 4.04Å; Y45-T49 WeakPolarHBondContact O-CG2 3.31Å; Y45-T49 PolarHBondContact O-N 3.5Å; Y45-T49 PolarHBondContact O-OG1 3.28Å; F46-T49 WeakPolarHBondContact CA-OG1 3.29Å; F46-T49 PolarHBondContact O-N 2.91Å; F46-T49 PolarHBondContact O-OG1 3.27Å; K47-T49 PolarHBondContact O-N 3.31Å; T49-H94 VanDerWaalsContact CB-CE1 3.46Å; T49-H94 WeakPolarHBondContact CB-CE1 3.41Å
50	G	97.1	Very high	97.9	Very high	65 Å²	65	52.5 Å²	52.5	67%	0.67	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	17.1	173.1	0	0	0	0	0	115.2	F46 K47	F46-G50 PolarHBondContact O-N 3.39Å; K47-G50 PolarHBondContact O-N 3.41Å
51	F	97.8	Very high	97.8	Very high	24 Å²	24	55.2 Å²	55.2	11%	0.105	30%	0.302	C	S	.	.			trans	-110.5	40.9	176.9	-65.4	-84.7	0	0	0	111.8	F46 E53 Q54 A55 K89 I90 H94	F46-F51 HydrophobicContact CB-CB 4.31Å; F46-F51 HydrophobicContact CD1-CB 4.45Å; F46-F51 HydrophobicContact CD1-CD2 4.43Å; F46-F51 CarbonylContact O-C 3.56Å; F46-F51 WeakPolarHBondContact O-CA 3.3Å; F46-F51 WeakPolarHBondContact O-CB 3.39Å; F46-F51 PolarHBondContact O-N 3.42Å; F51-E53 VanDerWaalsContact C-N 3.34Å; F51-E53 PolarHBondContact O-N 2.9Å; F51-Q54 HydrophobicContact CB-CB 4.3Å; F51-Q54 CarbonylContact O-C 3.53Å; F51-Q54 PolarHBondContact O-N 3.02Å; F51-A55 PolarHBondContact O-N 2.97Å; F51-K89 HydrophobicContact CE1-CB 4.02Å; F51-K89 HydrophobicContact CZ-CB 3.84Å; F51-I90 HydrophobicContact CD1-CD1 3.82Å; F51-I90 HydrophobicContact CD1-CG1 3.59Å; F51-I90 HydrophobicContact CD2-CG1 4.39Å; F51-I90 HydrophobicContact CE1-CD1 4.31Å; F51-I90 HydrophobicContact CE1-CG1 3.68Å; F51-I90 HydrophobicContact CE2-CG1 4.49Å; F51-I90 HydrophobicContact CG-CD1 4.27Å; F51-I90 HydrophobicContact CG-CG1 3.96Å; F51-I90 HydrophobicContact CZ-CG1 4.15Å; F51-H94 AromaticContact CE2-CD2 3.62Å; F51-H94 AromaticContact CE2-NE2 3.38Å; F51-H94 WeakPolarHBondContact CE2-NE2 3.36Å
52	E	97.8	Very high	97.8	Very high	132 Å²	132	58.7 Å²	58.7	62%	0.617	32%	0.316	S	S	*	.	H	α-helix	trans	-57.7	-42.4	-174.3	179	166.9	-154.8	0	0	113.6	K47 Q54 A55	K47-E52 HydrophobicContact CG-CB 4.29Å; K47-E52 HydrophobicContact CG-CG 4.16Å; E52-Q54 VanDerWaalsContact C-N 3.29Å; E52-Q54 PolarHBondContact O-N 3.12Å; E52-A55 PolarHBondContact O-N 3.44Å
53	E	97.8	Very high	97.8	Very high	138 Å²	138	59.7 Å²	59.7	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-64.3	-33.7	176.3	-176.1	-167.8	179.3	0	0	112	F51 T56	F51-E53 VanDerWaalsContact C-N 3.34Å; F51-E53 PolarHBondContact O-N 2.9Å; E53-T56 PolarHBondContact O-OG1 2.95Å
54	Q	98.5	Very high	97.8	Very high	25 Å²	25	61.6 Å²	61.6	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-87.6	-20.1	-177.5	-66.4	73.1	37.4	0	0	112.7	F51 E52 T56 A57 I82 P86 I90	F51-Q54 HydrophobicContact CB-CB 4.3Å; F51-Q54 CarbonylContact O-C 3.53Å; F51-Q54 PolarHBondContact O-N 3.02Å; E52-Q54 VanDerWaalsContact C-N 3.29Å; E52-Q54 PolarHBondContact O-N 3.12Å; Q54-T56 PolarHBondContact O-N 3.3Å; Q54-A57 WeakPolarHBondContact O-CB 3.5Å; Q54-A57 PolarHBondContact O-N 2.98Å; Q54-A57 VanDerWaalsContact O-N 3.08Å; Q54-I82 HydrophobicContact CB-CD1 3.97Å; Q54-I82 HydrophobicContact CB-CG1 4.29Å; Q54-I82 HydrophobicContact CB-CG2 4.42Å; Q54-I82 HydrophobicContact CG-CD1 4.33Å; Q54-I82 HydrophobicContact CG-CG1 4.26Å; Q54-I82 HydrophobicContact CG-CG2 3.61Å; Q54-P86 HydrophobicContact CG-CB 4.02Å; Q54-I90 HydrophobicContact CB-CD1 3.82Å; Q54-I90 HydrophobicContact CG-CD1 4.12Å
55	A	98.2	Very high	97.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-28.8	-179.1	0	0	0	0	0	112.4	V43 F46 K47 F51 E52 A57 F58 Q59	V43-A55 HydrophobicContact CG1-CB 4.11Å; F46-A55 HydrophobicContact CB-CB 4.09Å; K47-A55 HydrophobicContact CG-CB 3.68Å; F51-A55 PolarHBondContact O-N 2.97Å; E52-A55 PolarHBondContact O-N 3.44Å; A55-A57 VanDerWaalsContact C-N 3.26Å; A55-A57 PolarHBondContact O-N 3.42Å; A55-F58 PolarHBondContact O-N 2.88Å; A55-Q59 PolarHBondContact O-N 3.03Å
56	T	97.4	Very high	97.8	Very high	75 Å²	75	62.9 Å²	62.9	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-32.9	176.2	61.3	0	0	0	0	112.3	E53 Q54 F58 Q59 D60	E53-T56 PolarHBondContact O-OG1 2.95Å; Q54-T56 PolarHBondContact O-N 3.3Å; T56-F58 VanDerWaalsContact C-N 3.28Å; T56-F58 PolarHBondContact O-N 3.41Å; T56-Q59 WeakPolarHBondContact O-CA 3.4Å; T56-Q59 WeakPolarHBondContact O-CB 3.45Å; T56-Q59 PolarHBondContact O-N 3.33Å; T56-D60 PolarHBondContact O-N 2.68Å
57	A	98.1	Very high	97.9	Very high	11 Å²	11	65.2 Å²	65.2	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-34.1	177.4	0	0	0	0	0	112.4	Q54 A55 Q61 L80 I82	Q54-A57 WeakPolarHBondContact O-CB 3.5Å; Q54-A57 PolarHBondContact O-N 2.98Å; Q54-A57 VanDerWaalsContact O-N 3.08Å; A55-A57 VanDerWaalsContact C-N 3.26Å; A55-A57 PolarHBondContact O-N 3.42Å; A57-Q61 WeakPolarHBondContact O-CB 3.3Å; A57-Q61 VanDerWaalsContact O-CG 3.3Å; A57-Q61 WeakPolarHBondContact O-CG 3.3Å; A57-Q61 PolarHBondContact O-N 2.76Å; A57-Q61 VanDerWaalsContact O-N 3.14Å; A57-L80 HydrophobicContact CB-CB 4.21Å; A57-L80 WeakPolarHBondContact CB-O 3.5Å; A57-I82 HydrophobicContact CB-CD1 4Å; A57-I82 HydrophobicContact CB-CG1 3.91Å
58	F	98.4	Very high	97.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-36.4	173.3	-67.1	-90.8	0	0	0	111.6	V42 V43 F46 A55 T56 E62 I63 L68 M71 L80 I82 I90	V42-F58 HydrophobicContact CG1-CB 4.06Å; V42-F58 HydrophobicContact CG1-CD1 3.85Å; V42-F58 HydrophobicContact CG1-CG 4.12Å; V43-F58 HydrophobicContact CG2-CB 4.46Å; F46-F58 HydrophobicContact CD1-CE2 4.46Å; F46-F58 HydrophobicContact CD2-CD1 4.33Å; F46-F58 AromaticContact CD2-CD2 3.97Å; F46-F58 HydrophobicContact CD2-CD2 3.97Å; F46-F58 HydrophobicContact CD2-CE1 4.18Å; F46-F58 AromaticContact CD2-CE2 3.79Å; F46-F58 HydrophobicContact CD2-CE2 3.79Å; F46-F58 HydrophobicContact CD2-CG 4.22Å; F46-F58 AromaticContact CD2-CZ 3.9Å; F46-F58 HydrophobicContact CD2-CZ 3.9Å; F46-F58 HydrophobicContact CE1-CZ 4.29Å; F46-F58 HydrophobicContact CE2-CD1 4.07Å; F46-F58 HydrophobicContact CE2-CD2 4.35Å; F46-F58 AromaticContact CE2-CE1 3.6Å; F46-F58 HydrophobicContact CE2-CE1 3.6Å; F46-F58 AromaticContact CE2-CE2 3.91Å; F46-F58 HydrophobicContact CE2-CE2 3.91Å; F46-F58 HydrophobicContact CE2-CG 4.42Å; F46-F58 AromaticContact CE2-CZ 3.5Å; F46-F58 HydrophobicContact CE2-CZ 3.5Å; F46-F58 HydrophobicContact CG-CD2 4.44Å; F46-F58 HydrophobicContact CG-CE2 4.09Å; F46-F58 HydrophobicContact CG-CZ 4.45Å; F46-F58 HydrophobicContact CZ-CE1 4.11Å; F46-F58 HydrophobicContact CZ-CE2 4.3Å; F46-F58 AromaticContact CZ-CZ 3.72Å; F46-F58 HydrophobicContact CZ-CZ 3.72Å; A55-F58 PolarHBondContact O-N 2.88Å; T56-F58 VanDerWaalsContact C-N 3.28Å; T56-F58 PolarHBondContact O-N 3.41Å; F58-E62 PolarHBondContact O-N 3.4Å; F58-I63 HydrophobicContact CB-CB 4.32Å; F58-I63 HydrophobicContact CD1-CB 4.02Å; F58-I63 HydrophobicContact CD1-CG1 4.18Å; F58-I63 HydrophobicContact CD1-CG2 4.01Å; F58-I63 PolarHBondContact O-N 2.89Å; F58-L68 HydrophobicContact CD1-CD1 4.32Å; F58-L68 HydrophobicContact CE1-CD1 3.82Å; F58-M71 HydrophobicContact CE1-SD 4.31Å; F58-L80 HydrophobicContact CD1-CD1 4.17Å; F58-L80 HydrophobicContact CD2-CD1 4.46Å; F58-L80 HydrophobicContact CE1-CD1 3.64Å; F58-L80 HydrophobicContact CE2-CD1 3.98Å; F58-L80 HydrophobicContact CZ-CD1 3.54Å; F58-I82 HydrophobicContact CE2-CD1 4.27Å; F58-I90 HydrophobicContact CE2-CD1 4.38Å; F58-I90 HydrophobicContact CE2-CG2 4.4Å; F58-I90 HydrophobicContact CZ-CG2 3.79Å
59	Q	98.3	Very high	98	Very high	86 Å²	86	60 Å²	60	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-47.5	174.4	-176.4	59.1	73.5	0	0	111.7	V43 A55 T56 Q61 E62	V43-Q59 HydrophobicContact CG2-CB 3.72Å; A55-Q59 PolarHBondContact O-N 3.03Å; T56-Q59 WeakPolarHBondContact O-CA 3.4Å; T56-Q59 WeakPolarHBondContact O-CB 3.45Å; T56-Q59 PolarHBondContact O-N 3.33Å; Q59-Q61 VanDerWaalsContact C-N 3.29Å; Q59-Q61 PolarHBondContact O-N 3.38Å; Q59-E62 PolarHBondContact O-N 3.29Å; Q59-E62 VanDerWaalsContact O-N 3.08Å
60	D	97.8	Very high	98.1	Very high	119 Å²	119	65.1 Å²	65.1	64%	0.636	34%	0.343	S	S	*	.	H	α-helix	trans	-66.8	-31.7	-176.1	-66.7	-18.4	0	0	0	112.3	T56 E62	T56-D60 PolarHBondContact O-N 2.68Å; D60-E62 VanDerWaalsContact C-N 3.32Å
61	Q	97.9	Very high	98.1	Very high	111 Å²	111	62.8 Å²	62.8	52%	0.519	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	5.3	175.7	-61.7	-59.7	-64.7	0	0	112.9	A57 Q59 I63 L80	A57-Q61 WeakPolarHBondContact O-CB 3.3Å; A57-Q61 VanDerWaalsContact O-CG 3.3Å; A57-Q61 WeakPolarHBondContact O-CG 3.3Å; A57-Q61 PolarHBondContact O-N 2.76Å; A57-Q61 VanDerWaalsContact O-N 3.14Å; Q59-Q61 VanDerWaalsContact C-N 3.29Å; Q59-Q61 PolarHBondContact O-N 3.38Å; Q61-I63 HydrophobicContact CB-CD1 3.88Å; Q61-I63 HydrophobicContact CB-CG1 3.82Å; Q61-I63 PolarHBondContact O-N 3.29Å; Q61-L80 HydrophobicContact CB-CD2 4.2Å; Q61-L80 HydrophobicContact CG-CD2 3.9Å
62	E	98.3	Very high	98.1	Very high	151 Å²	151	65 Å²	65	71%	0.706	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	39.2	179.9	-56.3	-173.9	145	0	0	113.4	V39 F58 Q59 D60 D64	V39-E62 HydrophobicContact CG2-CB 4.49Å; F58-E62 PolarHBondContact O-N 3.4Å; Q59-E62 PolarHBondContact O-N 3.29Å; Q59-E62 VanDerWaalsContact O-N 3.08Å; D60-E62 VanDerWaalsContact C-N 3.32Å; E62-D64 PolarHBondContact O-N 2.91Å; E62-D64 VanDerWaalsContact O-N 3.11Å
63	I	98.6	Very high	98.2	Very high	21 Å²	21	63.8 Å²	63.8	11%	0.108	32%	0.32	C	S	.	.			trans	-74.5	106.3	-177.8	-53.9	-59.8	0	0	0	109.7	V42 F58 Q61 L68 M71 L80	V42-I63 WeakPolarHBondContact CG2-O 3.48Å; F58-I63 HydrophobicContact CB-CB 4.32Å; F58-I63 HydrophobicContact CD1-CB 4.02Å; F58-I63 HydrophobicContact CD1-CG1 4.18Å; F58-I63 HydrophobicContact CD1-CG2 4.01Å; F58-I63 PolarHBondContact O-N 2.89Å; Q61-I63 HydrophobicContact CB-CD1 3.88Å; Q61-I63 HydrophobicContact CB-CG1 3.82Å; Q61-I63 PolarHBondContact O-N 3.29Å; I63-L68 HydrophobicContact CG2-CB 4.14Å; I63-L68 HydrophobicContact CG2-CD1 4.27Å; I63-M71 HydrophobicContact CG2-SD 4.07Å; I63-L80 HydrophobicContact CG1-CD2 4.29Å
64	D	98.6	Very high	98.2	Very high	51 Å²	51	62.4 Å²	62.4	27%	0.273	32%	0.317	S	S	.	.			trans	-85.7	176.6	167.8	76.5	-7.7	0	0	0	111.8	V39 E62 K66 S67 L68	V39-D64 HydrophobicContact CG2-CB 4.25Å; E62-D64 PolarHBondContact O-N 2.91Å; E62-D64 VanDerWaalsContact O-N 3.11Å; D64-K66 VanDerWaalsContact C-N 3.33Å; D64-K66 PolarHBondContact O-N 2.7Å; D64-K66 PolarHBondContact OD1-N 3.23Å; D64-S67 PolarHBondContact O-N 2.93Å; D64-S67 WeakPolarHBondContact OD1-CB 3.1Å; D64-S67 PolarHBondContact OD1-N 3.49Å; D64-S67 PolarHBondContact OD1-OG 2.88Å; D64-L68 WeakPolarHBondContact O-CB 3.46Å; D64-L68 PolarHBondContact O-N 2.79Å
65	G	98.4	Very high	98.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-36.5	-177.6	0	0	0	0	0	114.3	P34 W37 L68 L69	P34-G65 VanDerWaalsContact O-CA 3.23Å; P34-G65 WeakPolarHBondContact O-CA 3.29Å; W37-G65 PolarHBondContact O-N 2.91Å; G65-L68 WeakPolarHBondContact O-CB 3.4Å; G65-L68 PolarHBondContact O-N 3.43Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.42Å; G65-L69 PolarHBondContact O-N 3.48Å
66	K	98.1	Very high	98.1	Very high	135 Å²	135	64.5 Å²	64.5	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-67	-43.9	177	-69.1	178.1	-178.3	172.3	0	111.1	D64 L68 L69 L70	D64-K66 VanDerWaalsContact C-N 3.33Å; D64-K66 PolarHBondContact O-N 2.7Å; D64-K66 PolarHBondContact OD1-N 3.23Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L69 PolarHBondContact O-N 2.79Å; K66-L70 WeakPolarHBondContact O-CG 3.43Å; K66-L70 PolarHBondContact O-N 2.98Å
67	S	98.4	Very high	98.1	Very high	49 Å²	49	62.3 Å²	62.3	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-44.5	175.5	-56.1	0	0	0	0	110.4	D64 L69 L70 M71	D64-S67 PolarHBondContact O-N 2.93Å; D64-S67 WeakPolarHBondContact OD1-CB 3.1Å; D64-S67 PolarHBondContact OD1-N 3.49Å; D64-S67 PolarHBondContact OD1-OG 2.88Å; S67-L69 VanDerWaalsContact C-N 3.3Å; S67-L69 PolarHBondContact O-N 2.79Å; S67-L70 CarbonylContact O-C 3.53Å; S67-L70 WeakPolarHBondContact O-CA 3.42Å; S67-L70 PolarHBondContact O-N 3.38Å; S67-M71 VanDerWaalsContact O-CG 3.3Å; S67-M71 WeakPolarHBondContact O-CG 3.38Å; S67-M71 PolarHBondContact O-N 3.44Å
68	L	98.4	Very high	97.9	Very high	2 Å²	2	67 Å²	67	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-56.1	-42.1	175.4	-169.2	72.5	0	0	0	112.5	P34 W37 V42 F46 F58 I63 D64 G65 K66 L70 M71 V95 L98 Q99	P34-L68 HydrophobicContact CB-CD2 4.4Å; W37-L68 HydrophobicContact CZ3-CD2 4.45Å; V42-L68 HydrophobicContact CG1-CD1 4.45Å; V42-L68 HydrophobicContact CG1-CD2 4.42Å; V42-L68 HydrophobicContact CG2-CD2 4.39Å; F46-L68 HydrophobicContact CE2-CD1 4.04Å; F46-L68 HydrophobicContact CE2-CD2 4.48Å; F46-L68 HydrophobicContact CZ-CD1 4.35Å; F58-L68 HydrophobicContact CD1-CD1 4.32Å; F58-L68 HydrophobicContact CE1-CD1 3.82Å; I63-L68 HydrophobicContact CG2-CB 4.14Å; I63-L68 HydrophobicContact CG2-CD1 4.27Å; D64-L68 WeakPolarHBondContact O-CB 3.46Å; D64-L68 PolarHBondContact O-N 2.79Å; G65-L68 WeakPolarHBondContact O-CB 3.4Å; G65-L68 PolarHBondContact O-N 3.43Å; K66-L68 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.37Å; L68-M71 HydrophobicContact CD1-SD 4.06Å; L68-M71 PolarHBondContact O-N 3.41Å; L68-V95 HydrophobicContact CD1-CG2 4.02Å; L68-L98 HydrophobicContact CD2-CD1 3.95Å; L68-Q99 PolarHBondContact O-NE2 2.98Å; L68-Q99 VanDerWaalsContact O-NE2 3.1Å
69	L	97.9	Very high	97.5	Very high	30 Å²	30	68.8 Å²	68.8	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-21.7	177.1	-73.1	171.9	0	0	0	113.5	P34 G65 K66 S67 Q99 H102	P34-L69 HydrophobicContact CG-CD1 4.11Å; P34-L69 HydrophobicContact CG-CD2 3.59Å; P34-L69 HydrophobicContact CG-CG 3.76Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.42Å; G65-L69 PolarHBondContact O-N 3.48Å; K66-L69 PolarHBondContact O-N 2.79Å; S67-L69 VanDerWaalsContact C-N 3.3Å; S67-L69 PolarHBondContact O-N 2.79Å; L69-Q99 HydrophobicContact CD2-CG 4.17Å; L69-Q99 PolarHBondContact O-NE2 3.39Å; L69-H102 HydrophobicContact CD2-CB 3.69Å
70	L	97.8	Very high	97.3	Very high	143 Å²	143	65.1 Å²	65.1	75%	0.749	34%	0.344	S	S	*	.	H	α-helix	trans	-99.5	-12.8	179.2	-63.9	173.9	0	0	0	113.4	K66 S67 L68 T72	K66-L70 WeakPolarHBondContact O-CG 3.43Å; K66-L70 PolarHBondContact O-N 2.98Å; S67-L70 CarbonylContact O-C 3.53Å; S67-L70 WeakPolarHBondContact O-CA 3.42Å; S67-L70 PolarHBondContact O-N 3.38Å; L68-L70 PolarHBondContact O-N 3.37Å; L70-T72 PolarHBondContact O-N 3.09Å
71	M	98.2	Very high	97	Very high	15 Å²	15	65.2 Å²	65.2	7%	0.074	35%	0.354	C	S	.	.			trans	-57.4	128.2	-179.9	-71	-168.2	81.2	0	0	111.2	F58 I63 S67 L68 D75 V76 L80 V95 Q99	F58-M71 HydrophobicContact CE1-SD 4.31Å; I63-M71 HydrophobicContact CG2-SD 4.07Å; S67-M71 VanDerWaalsContact O-CG 3.3Å; S67-M71 WeakPolarHBondContact O-CG 3.38Å; S67-M71 PolarHBondContact O-N 3.44Å; L68-M71 HydrophobicContact CD1-SD 4.06Å; L68-M71 PolarHBondContact O-N 3.41Å; M71-D75 HydrophobicContact CB-CB 4.43Å; M71-D75 HydrophobicContact CE-CB 3.68Å; M71-V76 HydrophobicContact CB-CG2 4.33Å; M71-V76 HydrophobicContact CE-CG2 3.68Å; M71-V76 HydrophobicContact SD-CG2 4.19Å; M71-L80 HydrophobicContact CE-CD1 3.95Å; M71-L80 HydrophobicContact CE-CD2 4.07Å; M71-L80 HydrophobicContact CE-CG 3.99Å; M71-V95 HydrophobicContact CB-CG1 4.42Å; M71-Q99 PolarHBondContact O-NE2 3.32Å
72	T	98.1	Very high	97	Very high	72 Å²	72	61 Å²	61	44%	0.442	33%	0.334	S	S	.	.			trans	-81.7	169.2	170	73.6	0	0	0	0	110.6	L70 N74 D75 V76	L70-T72 PolarHBondContact O-N 3.09Å; T72-N74 PolarHBondContact O-N 3.33Å; T72-N74 PolarHBondContact OG1-N 3.2Å; T72-D75 WeakPolarHBondContact CA-OD2 3.48Å; T72-D75 VanDerWaalsContact CB-OD2 3.3Å; T72-D75 WeakPolarHBondContact CB-OD2 3.27Å; T72-D75 WeakPolarHBondContact CG2-OD2 3.48Å; T72-D75 PolarHBondContact N-OD2 3.26Å; T72-D75 PolarHBondContact O-N 3.19Å; T72-D75 PolarHBondContact OG1-N 2.99Å; T72-D75 PolarHBondContact OG1-OD2 2.89Å; T72-V76 PolarHBondContact O-N 3.1Å
73	R	98.2	Very high	97	Very high	106 Å²	106	61.2 Å²	61.2	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-54.5	-42	171.3	-168.4	175	-140.3	-119.6	5.1	112.4	V76 L77 Y91 E92	R73-V76 PolarHBondContact O-N 3.37Å; R73-L77 HydrophobicContact CG-CD1 3.8Å; R73-L77 HydrophobicContact CG-CG 4.19Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 VanDerWaalsContact O-CG 3.27Å; R73-L77 WeakPolarHBondContact O-CG 3.39Å; R73-L77 PolarHBondContact O-N 3.2Å; R73-Y91 VanDerWaalsContact CA-CE2 3.42Å; R73-Y91 HydrophobicContact CB-CD1 4.39Å; R73-Y91 HydrophobicContact CB-CD2 4.37Å; R73-Y91 HydrophobicContact CB-CE1 3.88Å; R73-Y91 HydrophobicContact CB-CE2 3.86Å; R73-Y91 HydrophobicContact CG-CD1 3.83Å; R73-Y91 HydrophobicContact CG-CD2 4.44Å; R73-Y91 HydrophobicContact CG-CE1 3.67Å; R73-Y91 HydrophobicContact CG-CE2 4.31Å; R73-Y91 HydrophobicContact CG-CG 4.21Å; R73-E92 IonicContact CZ-OE1 3.56Å; R73-E92 IonicContact NE-OE1 3.52Å; R73-E92 IonicContact NH2-OE1 2.74Å; R73-E92 PolarHBondContact NH2-OE1 3.47Å
74	N	97.8	Very high	97	Very high	108 Å²	108	65.4 Å²	65.4	58%	0.578	36%	0.355	S	S	*	.	H	α-helix	trans	-68.8	-37.6	-177.1	-72.9	-15.8	0	0	0	111.5	T72 V76 L77 T78 G79	T72-N74 PolarHBondContact O-N 3.33Å; T72-N74 PolarHBondContact OG1-N 3.2Å; N74-V76 VanDerWaalsContact C-N 3.25Å; N74-V76 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.06Å; N74-T78 PolarHBondContact O-N 3.41Å; N74-T78 PolarHBondContact O-OG1 3.33Å; N74-G79 PolarHBondContact O-N 3.22Å
75	D	98	Very high	96.9	Very high	70 Å²	70	65 Å²	65	37%	0.374	36%	0.363	S	S	.	.	I	π-helix	trans	-59	-40.9	177.9	-55.3	-39.7	0	0	0	111.1	M71 T72 G79 L80	M71-D75 HydrophobicContact CB-CB 4.43Å; M71-D75 HydrophobicContact CE-CB 3.68Å; T72-D75 WeakPolarHBondContact CA-OD2 3.48Å; T72-D75 VanDerWaalsContact CB-OD2 3.3Å; T72-D75 WeakPolarHBondContact CB-OD2 3.27Å; T72-D75 WeakPolarHBondContact CG2-OD2 3.48Å; T72-D75 PolarHBondContact N-OD2 3.26Å; T72-D75 PolarHBondContact O-N 3.19Å; T72-D75 PolarHBondContact OG1-N 2.99Å; T72-D75 PolarHBondContact OG1-OD2 2.89Å; D75-G79 CarbonylContact O-C 3.6Å; D75-G79 WeakPolarHBondContact O-CA 3.38Å; D75-G79 PolarHBondContact O-N 3.45Å; D75-L80 PolarHBondContact O-N 2.85Å
76	V	97.9	Very high	96.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.374	C	S	.	.	I	π-helix	trans	-72.9	-44.3	177	-177.1	0	0	0	0	112	M71 T72 R73 N74 L80 I90 Y91 V95	M71-V76 HydrophobicContact CB-CG2 4.33Å; M71-V76 HydrophobicContact CE-CG2 3.68Å; M71-V76 HydrophobicContact SD-CG2 4.19Å; T72-V76 PolarHBondContact O-N 3.1Å; R73-V76 PolarHBondContact O-N 3.37Å; N74-V76 VanDerWaalsContact C-N 3.25Å; N74-V76 PolarHBondContact O-N 3.28Å; V76-L80 HydrophobicContact CG1-CD1 4.5Å; V76-I90 HydrophobicContact CG1-CB 4.36Å; V76-I90 HydrophobicContact CG1-CG2 3.82Å; V76-Y91 HydrophobicContact CB-CD2 4.32Å; V76-Y91 HydrophobicContact CG2-CD2 4.01Å; V76-V95 HydrophobicContact CG2-CG2 4.2Å
77	L	97.4	Very high	97	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.147	35%	0.346	C	S	.	.	I	π-helix	trans	-74.9	-28.4	-173.4	-66.2	-173.7	0	0	0	113.9	R73 N74 L84 A87 L88	R73-L77 HydrophobicContact CG-CD1 3.8Å; R73-L77 HydrophobicContact CG-CG 4.19Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 VanDerWaalsContact O-CG 3.27Å; R73-L77 WeakPolarHBondContact O-CG 3.39Å; R73-L77 PolarHBondContact O-N 3.2Å; N74-L77 PolarHBondContact O-N 3.06Å; L77-L84 HydrophobicContact CD2-CD1 4.33Å; L77-A87 HydrophobicContact CD2-CB 3.8Å; L77-L88 HydrophobicContact CD1-CD2 4.07Å; L77-L88 HydrophobicContact CD2-CB 4.49Å; L77-L88 HydrophobicContact CD2-CD2 3.76Å; L77-L88 HydrophobicContact CD2-CG 3.9Å
78	T	93.3	Very high	97	Very high	109 Å²	109	60.9 Å²	60.9	67%	0.669	35%	0.345	S	S	*	.	I	π-helix	trans	-129.1	-26	-175.3	63	0	0	0	0	114	N74	N74-T78 PolarHBondContact O-N 3.41Å; N74-T78 PolarHBondContact O-OG1 3.33Å
79	G	89.8	Confident	97	Very high	39 Å²	39	66.6 Å²	66.6	40%	0.402	37%	0.37	S	S	.	.	I	π-helix	trans	-78.3	-31.5	-175.7	0	0	0	0	0	114.4	N74 D75 S81	N74-G79 PolarHBondContact O-N 3.22Å; D75-G79 CarbonylContact O-C 3.6Å; D75-G79 WeakPolarHBondContact O-CA 3.38Å; D75-G79 PolarHBondContact O-N 3.45Å; G79-S81 PolarHBondContact O-N 3.31Å
80	L	93.8	Very high	97	Very high	9 Å²	9	65.2 Å²	65.2	5%	0.047	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.2	-175.7	-63.5	-177.2	0	0	0	114.8	A57 F58 Q61 I63 M71 D75 V76 I82	A57-L80 HydrophobicContact CB-CB 4.21Å; A57-L80 WeakPolarHBondContact CB-O 3.5Å; F58-L80 HydrophobicContact CD1-CD1 4.17Å; F58-L80 HydrophobicContact CD2-CD1 4.46Å; F58-L80 HydrophobicContact CE1-CD1 3.64Å; F58-L80 HydrophobicContact CE2-CD1 3.98Å; F58-L80 HydrophobicContact CZ-CD1 3.54Å; Q61-L80 HydrophobicContact CB-CD2 4.2Å; Q61-L80 HydrophobicContact CG-CD2 3.9Å; I63-L80 HydrophobicContact CG1-CD2 4.29Å; M71-L80 HydrophobicContact CE-CD1 3.95Å; M71-L80 HydrophobicContact CE-CD2 4.07Å; M71-L80 HydrophobicContact CE-CG 3.99Å; D75-L80 PolarHBondContact O-N 2.85Å; V76-L80 HydrophobicContact CG1-CD1 4.5Å; L80-I82 HydrophobicContact CB-CD1 3.66Å; L80-I82 HydrophobicContact CB-CG1 3.92Å; L80-I82 HydrophobicContact CD1-CD1 3.79Å; L80-I82 HydrophobicContact CG-CD1 4.41Å; L80-I82 PolarHBondContact O-N 3.36Å; L80-I82 VanDerWaalsContact O-N 3.09Å
81	S	93.1	Very high	97	Very high	121 Å²	121	60 Å²	60	85%	0.846	33%	0.333	S	S	*	.			trans	53.3	28	-174.6	-58.4	0	0	0	0	114.6	G79	G79-S81 PolarHBondContact O-N 3.31Å
82	I	97.2	Very high	97	Very high	21 Å²	21	62.2 Å²	62.2	11%	0.108	34%	0.343	C	S	.	.			trans	-88.3	144.9	176.5	-64.8	165.6	0	0	0	109.7	Q54 A57 F58 L80 L84 P86 A87 I90	Q54-I82 HydrophobicContact CB-CD1 3.97Å; Q54-I82 HydrophobicContact CB-CG1 4.29Å; Q54-I82 HydrophobicContact CB-CG2 4.42Å; Q54-I82 HydrophobicContact CG-CD1 4.33Å; Q54-I82 HydrophobicContact CG-CG1 4.26Å; Q54-I82 HydrophobicContact CG-CG2 3.61Å; A57-I82 HydrophobicContact CB-CD1 4Å; A57-I82 HydrophobicContact CB-CG1 3.91Å; F58-I82 HydrophobicContact CE2-CD1 4.27Å; L80-I82 HydrophobicContact CB-CD1 3.66Å; L80-I82 HydrophobicContact CB-CG1 3.92Å; L80-I82 HydrophobicContact CD1-CD1 3.79Å; L80-I82 HydrophobicContact CG-CD1 4.41Å; L80-I82 PolarHBondContact O-N 3.36Å; L80-I82 VanDerWaalsContact O-N 3.09Å; I82-L84 PolarHBondContact O-N 3.31Å; I82-P86 HydrophobicContact CG2-CB 3.87Å; I82-A87 HydrophobicContact CB-CB 4.23Å; I82-A87 HydrophobicContact CG2-CB 3.99Å; I82-I90 HydrophobicContact CD1-CD1 3.99Å
83	K	97.7	Very high	97	Very high	156 Å²	156	66.7 Å²	66.7	68%	0.678	35%	0.353	S	S	*	.			trans	-55.9	140.3	172.9	-66.2	178.3	-174.8	163.2	0	110.6	G85 P86 A87	K83-G85 VanDerWaalsContact C-N 3.3Å; K83-G85 PolarHBondContact O-N 3.27Å; K83-G85 VanDerWaalsContact O-N 3.12Å; K83-P86 HydrophobicContact CB-CG 4.41Å; K83-P86 VanDerWaalsContact O-CD 3.23Å; K83-P86 WeakPolarHBondContact O-CD 3.31Å; K83-A87 WeakPolarHBondContact O-CB 3.35Å; K83-A87 PolarHBondContact O-N 3.47Å
84	L	98	Very high	97	Very high	110 Å²	110	63 Å²	63	58%	0.576	34%	0.34	S	S	*	.	H	α-helix	trans	-51.9	-42.8	-172.7	-179.1	62	0	0	0	114.2	L77 I82 A87 L88	L77-L84 HydrophobicContact CD2-CD1 4.33Å; I82-L84 PolarHBondContact O-N 3.31Å; L84-A87 PolarHBondContact O-N 3.36Å; L84-L88 HydrophobicContact CD1-CD1 4.09Å; L84-L88 HydrophobicContact CD1-CG 4.08Å; L84-L88 HydrophobicContact CG-CD1 3.99Å; L84-L88 HydrophobicContact CG-CG 4.43Å; L84-L88 VanDerWaalsContact O-CG 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.23Å; L84-L88 PolarHBondContact O-N 3.02Å
85	G	98.3	Very high	97	Very high	42 Å²	42	57.9 Å²	57.9	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-58.5	-60.3	-179.5	0	0	0	0	0	112.9	K83 A87 L88 K89	K83-G85 VanDerWaalsContact C-N 3.3Å; K83-G85 PolarHBondContact O-N 3.27Å; K83-G85 VanDerWaalsContact O-N 3.12Å; G85-A87 VanDerWaalsContact C-N 3.34Å; G85-A87 PolarHBondContact O-N 3.4Å; G85-L88 PolarHBondContact O-N 2.91Å; G85-K89 PolarHBondContact O-N 3.01Å
86	P	98.4	Very high	96.9	Very high	36 Å²	36	58.9 Å²	58.9	23%	0.234	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-42.6	172	-28.5	34.4	0	0	0	114	Q54 I82 K83 L88 K89 I90	Q54-P86 HydrophobicContact CG-CB 4.02Å; I82-P86 HydrophobicContact CG2-CB 3.87Å; K83-P86 HydrophobicContact CB-CG 4.41Å; K83-P86 VanDerWaalsContact O-CD 3.23Å; K83-P86 WeakPolarHBondContact O-CD 3.31Å; P86-L88 VanDerWaalsContact C-N 3.33Å; P86-L88 PolarHBondContact O-N 3.07Å; P86-K89 WeakPolarHBondContact O-CB 3.22Å; P86-K89 PolarHBondContact O-N 3Å; P86-K89 VanDerWaalsContact O-N 3.07Å; P86-I90 WeakPolarHBondContact O-CG1 3.2Å; P86-I90 PolarHBondContact O-N 3.4Å
87	A	98.5	Very high	96.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-41.2	-179.5	0	0	0	0	0	112.6	L77 I82 K83 L84 G85 K89 I90 Y91	L77-A87 HydrophobicContact CD2-CB 3.8Å; I82-A87 HydrophobicContact CB-CB 4.23Å; I82-A87 HydrophobicContact CG2-CB 3.99Å; K83-A87 WeakPolarHBondContact O-CB 3.35Å; K83-A87 PolarHBondContact O-N 3.47Å; L84-A87 PolarHBondContact O-N 3.36Å; G85-A87 VanDerWaalsContact C-N 3.34Å; G85-A87 PolarHBondContact O-N 3.4Å; A87-K89 VanDerWaalsContact C-N 3.34Å; A87-K89 PolarHBondContact O-N 2.96Å; A87-I90 PolarHBondContact O-N 3.45Å; A87-Y91 PolarHBondContact O-N 3.37Å
88	L	98.5	Very high	96.8	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-41.5	174.3	-75.1	166.8	0	0	0	112	L77 L84 G85 P86 E92	L77-L88 HydrophobicContact CD1-CD2 4.07Å; L77-L88 HydrophobicContact CD2-CB 4.49Å; L77-L88 HydrophobicContact CD2-CD2 3.76Å; L77-L88 HydrophobicContact CD2-CG 3.9Å; L84-L88 HydrophobicContact CD1-CD1 4.09Å; L84-L88 HydrophobicContact CD1-CG 4.08Å; L84-L88 HydrophobicContact CG-CD1 3.99Å; L84-L88 HydrophobicContact CG-CG 4.43Å; L84-L88 VanDerWaalsContact O-CG 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.23Å; L84-L88 PolarHBondContact O-N 3.02Å; G85-L88 PolarHBondContact O-N 2.91Å; P86-L88 VanDerWaalsContact C-N 3.33Å; P86-L88 PolarHBondContact O-N 3.07Å; L88-E92 WeakPolarHBondContact O-CG 3.41Å; L88-E92 PolarHBondContact O-N 2.73Å
89	K	98.4	Very high	96.9	Very high	122 Å²	122	55.8 Å²	55.8	53%	0.53	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-45	178.1	-67.3	179.7	178.3	-179.1	0	111.4	F51 G85 P86 A87 Y91 Y93	F51-K89 HydrophobicContact CE1-CB 4.02Å; F51-K89 HydrophobicContact CZ-CB 3.84Å; G85-K89 PolarHBondContact O-N 3.01Å; P86-K89 WeakPolarHBondContact O-CB 3.22Å; P86-K89 PolarHBondContact O-N 3Å; P86-K89 VanDerWaalsContact O-N 3.07Å; A87-K89 VanDerWaalsContact C-N 3.34Å; A87-K89 PolarHBondContact O-N 2.96Å; K89-Y91 VanDerWaalsContact C-N 3.33Å; K89-Y91 PolarHBondContact O-N 3.12Å; K89-Y93 HydrophobicContact CB-CD2 4.15Å; K89-Y93 HydrophobicContact CG-CE2 4.47Å; K89-Y93 WeakPolarHBondContact O-CB 3.37Å; K89-Y93 WeakPolarHBondContact O-CD2 3.37Å; K89-Y93 PolarHBondContact O-N 3.1Å
90	I	98.6	Very high	97.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-48.4	177	-74.3	168.7	0	0	0	110.5	F46 F51 Q54 F58 V76 I82 P86 A87 H94 V95	F46-I90 HydrophobicContact CE1-CG1 4.39Å; F46-I90 HydrophobicContact CE1-CG2 3.78Å; F46-I90 HydrophobicContact CZ-CG2 4.06Å; F51-I90 HydrophobicContact CD1-CD1 3.82Å; F51-I90 HydrophobicContact CD1-CG1 3.59Å; F51-I90 HydrophobicContact CD2-CG1 4.39Å; F51-I90 HydrophobicContact CE1-CD1 4.31Å; F51-I90 HydrophobicContact CE1-CG1 3.68Å; F51-I90 HydrophobicContact CE2-CG1 4.49Å; F51-I90 HydrophobicContact CG-CD1 4.27Å; F51-I90 HydrophobicContact CG-CG1 3.96Å; F51-I90 HydrophobicContact CZ-CG1 4.15Å; Q54-I90 HydrophobicContact CB-CD1 3.82Å; Q54-I90 HydrophobicContact CG-CD1 4.12Å; F58-I90 HydrophobicContact CE2-CD1 4.38Å; F58-I90 HydrophobicContact CE2-CG2 4.4Å; F58-I90 HydrophobicContact CZ-CG2 3.79Å; V76-I90 HydrophobicContact CG1-CB 4.36Å; V76-I90 HydrophobicContact CG1-CG2 3.82Å; I82-I90 HydrophobicContact CD1-CD1 3.99Å; P86-I90 WeakPolarHBondContact O-CG1 3.2Å; P86-I90 PolarHBondContact O-N 3.4Å; A87-I90 PolarHBondContact O-N 3.45Å; I90-H94 WeakPolarHBondContact O-CA 3.28Å; I90-H94 WeakPolarHBondContact O-CB 3.35Å; I90-H94 PolarHBondContact O-N 2.91Å; I90-H94 VanDerWaalsContact O-N 3.09Å; I90-V95 HydrophobicContact CG2-CG2 4Å; I90-V95 PolarHBondContact O-N 3.41Å
91	Y	98.5	Very high	97	Very high	35 Å²	35	57.6 Å²	57.6	14%	0.137	30%	0.296	C	S	.	.	I	π-helix	trans	-65.4	-52.1	-179.3	-178	-101.6	0	0	0	112.4	R73 V76 A87 K89 V95 K96	R73-Y91 VanDerWaalsContact CA-CE2 3.42Å; R73-Y91 HydrophobicContact CB-CD1 4.39Å; R73-Y91 HydrophobicContact CB-CD2 4.37Å; R73-Y91 HydrophobicContact CB-CE1 3.88Å; R73-Y91 HydrophobicContact CB-CE2 3.86Å; R73-Y91 HydrophobicContact CG-CD1 3.83Å; R73-Y91 HydrophobicContact CG-CD2 4.44Å; R73-Y91 HydrophobicContact CG-CE1 3.67Å; R73-Y91 HydrophobicContact CG-CE2 4.31Å; R73-Y91 HydrophobicContact CG-CG 4.21Å; V76-Y91 HydrophobicContact CB-CD2 4.32Å; V76-Y91 HydrophobicContact CG2-CD2 4.01Å; A87-Y91 PolarHBondContact O-N 3.37Å; K89-Y91 VanDerWaalsContact C-N 3.33Å; K89-Y91 PolarHBondContact O-N 3.12Å; Y91-V95 HydrophobicContact CD2-CB 4.27Å; Y91-V95 HydrophobicContact CD2-CG1 4.29Å; Y91-K96 HydrophobicContact CE1-CD 4.4Å; Y91-K96 VanDerWaalsContact O-CB 3.28Å; Y91-K96 WeakPolarHBondContact O-CB 3.5Å; Y91-K96 PolarHBondContact O-N 3.32Å
92	E	98.1	Very high	96.9	Very high	60 Å²	60	53.4 Å²	53.4	28%	0.28	26%	0.264	S	S	.	.	I	π-helix	trans	-72.9	-33.9	-172.2	-66.6	-60.8	155.6	0	0	113.6	R73 L88 K96 P97	R73-E92 IonicContact CZ-OE1 3.56Å; R73-E92 IonicContact NE-OE1 3.52Å; R73-E92 IonicContact NH2-OE1 2.74Å; R73-E92 PolarHBondContact NH2-OE1 3.47Å; L88-E92 WeakPolarHBondContact O-CG 3.41Å; L88-E92 PolarHBondContact O-N 2.73Å; E92-K96 IonicContact OE2-NZ 3.64Å; E92-K96 PolarHBondContact OE2-NZ 2.88Å; E92-P97 WeakPolarHBondContact O-CD 3.49Å
93	Y	97.4	Very high	96.5	Very high	167 Å²	167	58 Å²	58	66%	0.655	29%	0.288	S	S	*	.	I	π-helix	trans	-104.2	-13.4	-173.1	-60	-68.9	0	0	0	114.6	K89 P97	K89-Y93 HydrophobicContact CB-CD2 4.15Å; K89-Y93 HydrophobicContact CG-CE2 4.47Å; K89-Y93 WeakPolarHBondContact O-CB 3.37Å; K89-Y93 WeakPolarHBondContact O-CD2 3.37Å; K89-Y93 PolarHBondContact O-N 3.1Å; Y93-P97 WeakPolarHBondContact O-CG 3.3Å
94	H	97.4	Very high	95.8	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.125	29%	0.285	C	S	.	.	I	π-helix	trans	-126	-64.2	-179	-64.9	-74.4	0	0	0	112.9	Y45 F46 T49 F51 I90 K96 P97 L98	Y45-H94 HydrophobicContact CE1-CB 4.09Å; Y45-H94 AromaticContact CE1-ND1 3.55Å; Y45-H94 AromaticContact CZ-ND1 3.58Å; Y45-H94 PolarHBondContact OH-ND1 2.87Å; F46-H94 HydrophobicContact CE1-CB 3.58Å; F46-H94 AromaticContact CE1-CG 3.96Å; F46-H94 HydrophobicContact CZ-CB 4.08Å; T49-H94 VanDerWaalsContact CB-CE1 3.46Å; T49-H94 WeakPolarHBondContact CB-CE1 3.41Å; F51-H94 AromaticContact CE2-CD2 3.62Å; F51-H94 AromaticContact CE2-NE2 3.38Å; F51-H94 WeakPolarHBondContact CE2-NE2 3.36Å; I90-H94 WeakPolarHBondContact O-CA 3.28Å; I90-H94 WeakPolarHBondContact O-CB 3.35Å; I90-H94 PolarHBondContact O-N 2.91Å; I90-H94 VanDerWaalsContact O-N 3.09Å; H94-K96 PolarHBondContact O-N 3.21Å; H94-P97 WeakPolarHBondContact O-CD 3.34Å; H94-L98 WeakPolarHBondContact O-CB 3.38Å; H94-L98 WeakPolarHBondContact O-CG 3.33Å; H94-L98 PolarHBondContact O-N 3.16Å
95	V	97.8	Very high	95	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.274	C	S	.	.	I	π-helix	trans	-59.9	-54	-173.5	177.6	0	0	0	0	111.2	F46 L68 M71 V76 I90 Y91 L98 Q99	F46-V95 HydrophobicContact CZ-CG2 4.14Å; L68-V95 HydrophobicContact CD1-CG2 4.02Å; M71-V95 HydrophobicContact CB-CG1 4.42Å; V76-V95 HydrophobicContact CG2-CG2 4.2Å; I90-V95 HydrophobicContact CG2-CG2 4Å; I90-V95 PolarHBondContact O-N 3.41Å; Y91-V95 HydrophobicContact CD2-CB 4.27Å; Y91-V95 HydrophobicContact CD2-CG1 4.29Å; V95-L98 PolarHBondContact O-N 2.95Å; V95-Q99 VanDerWaalsContact O-CG 3.3Å; V95-Q99 WeakPolarHBondContact O-CG 3.44Å; V95-Q99 PolarHBondContact O-N 3.25Å
96	K	97.2	Very high	94	Very high	92 Å²	92	57.5 Å²	57.5	40%	0.4	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-42.9	-178.8	177.2	-170.9	-175.3	-174	0	112.9	Y91 E92 H94 Q99 T100	Y91-K96 HydrophobicContact CE1-CD 4.4Å; Y91-K96 VanDerWaalsContact O-CB 3.28Å; Y91-K96 WeakPolarHBondContact O-CB 3.5Å; Y91-K96 PolarHBondContact O-N 3.32Å; E92-K96 IonicContact OE2-NZ 3.64Å; E92-K96 PolarHBondContact OE2-NZ 2.88Å; H94-K96 PolarHBondContact O-N 3.21Å; K96-Q99 PolarHBondContact O-N 3.4Å; K96-T100 WeakPolarHBondContact O-CB 3.41Å; K96-T100 PolarHBondContact O-N 2.94Å; K96-T100 PolarHBondContact O-OG1 3.05Å
97	P	96.5	Very high	92.6	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-44.9	171.5	-32.1	40	0	0	0	114.8	L31 E92 Y93 H94 Q99 T100 Q101	L31-P97 HydrophobicContact CD1-CB 3.44Å; L31-P97 VanDerWaalsContact CD1-CB 3.44Å; E92-P97 WeakPolarHBondContact O-CD 3.49Å; Y93-P97 WeakPolarHBondContact O-CG 3.3Å; H94-P97 WeakPolarHBondContact O-CD 3.34Å; P97-Q99 PolarHBondContact O-N 3.48Å; P97-T100 PolarHBondContact O-N 2.97Å; P97-Q101 PolarHBondContact O-N 2.67Å
98	L	96.2	Very high	90.6	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-60.1	-45	176.9	-71.5	168.5	0	0	0	111.2	L31 P32 P34 W37 Y45 L68 H94 V95 T100 Q101 H102	L31-L98 HydrophobicContact CB-CD2 4.37Å; P32-L98 HydrophobicContact CG-CD2 4.06Å; P32-L98 VanDerWaalsContact O-CD2 3.22Å; P32-L98 WeakPolarHBondContact O-CD2 3.18Å; P34-L98 HydrophobicContact CG-CB 4.32Å; W37-L98 HydrophobicContact CH2-CD2 4.47Å; W37-L98 HydrophobicContact CZ3-CD1 4.44Å; Y45-L98 HydrophobicContact CD1-CD1 4.46Å; Y45-L98 HydrophobicContact CE1-CD1 3.86Å; L68-L98 HydrophobicContact CD2-CD1 3.95Å; H94-L98 WeakPolarHBondContact O-CB 3.38Å; H94-L98 WeakPolarHBondContact O-CG 3.33Å; H94-L98 PolarHBondContact O-N 3.16Å; V95-L98 PolarHBondContact O-N 2.95Å; L98-T100 PolarHBondContact O-N 3.46Å; L98-Q101 PolarHBondContact O-N 3.5Å; L98-H102 PolarHBondContact O-N 3.02Å
99	Q	96.5	Very high	90.2	Very high	34 Å²	34	67.9 Å²	67.9	16%	0.159	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-46.4	174.8	-72.9	172.5	-8.9	0	0	112.2	L68 L69 M71 V95 K96 P97 Q101 H102 L103	L68-Q99 PolarHBondContact O-NE2 2.98Å; L68-Q99 VanDerWaalsContact O-NE2 3.1Å; L69-Q99 HydrophobicContact CD2-CG 4.17Å; L69-Q99 PolarHBondContact O-NE2 3.39Å; M71-Q99 PolarHBondContact O-NE2 3.32Å; V95-Q99 VanDerWaalsContact O-CG 3.3Å; V95-Q99 WeakPolarHBondContact O-CG 3.44Å; V95-Q99 PolarHBondContact O-N 3.25Å; K96-Q99 PolarHBondContact O-N 3.4Å; P97-Q99 PolarHBondContact O-N 3.48Å; Q99-Q101 VanDerWaalsContact C-N 3.31Å; Q99-Q101 PolarHBondContact O-N 3.49Å; Q99-H102 PolarHBondContact O-N 3.09Å; Q99-L103 WeakPolarHBondContact O-CG 3.42Å; Q99-L103 PolarHBondContact O-N 3.23Å; Q99-L103 VanDerWaalsContact O-N 3.16Å
100	T	93.6	Very high	89.8	Confident	63 Å²	63	65 Å²	65	39%	0.387	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-39.7	-179	-58.4	0	0	0	0	111.4	K96 P97 L98 K104	K96-T100 WeakPolarHBondContact O-CB 3.41Å; K96-T100 PolarHBondContact O-N 2.94Å; K96-T100 PolarHBondContact O-OG1 3.05Å; P97-T100 PolarHBondContact O-N 2.97Å; L98-T100 PolarHBondContact O-N 3.46Å; T100-K104 WeakPolarHBondContact O-CG 3.41Å; T100-K104 PolarHBondContact O-N 3.34Å
101	Q	90.3	Very high	89.3	Confident	23 Å²	23	68.6 Å²	68.6	11%	0.107	37%	0.369	C	S	.	.	H	α-helix	trans	-68.5	-42.5	177.9	-174.4	-163.4	-20.2	0	0	112.3	L31 P97 L98 Q99 L103 K104 S105	L31-Q101 VanDerWaalsContact CA-OE1 3.24Å; L31-Q101 PolarHBondContact O-NE2 2.79Å; L31-Q101 PolarHBondContact O-OE1 3.02Å; P97-Q101 PolarHBondContact O-N 2.67Å; L98-Q101 PolarHBondContact O-N 3.5Å; Q99-Q101 VanDerWaalsContact C-N 3.31Å; Q99-Q101 PolarHBondContact O-N 3.49Å; Q101-L103 VanDerWaalsContact C-N 3.28Å; Q101-L103 PolarHBondContact O-N 2.94Å; Q101-K104 PolarHBondContact O-N 3.25Å; Q101-K104 VanDerWaalsContact O-N 3.15Å; Q101-S105 PolarHBondContact O-N 3Å; Q101-S105 PolarHBondContact O-OG 3.15Å
102	H	91.6	Very high	88.7	Confident	34 Å²	34	70.6 Å²	70.6	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-56.7	-45	177.8	-179.3	72.1	0	0	0	111.1	D33 L69 L98 Q99 K104 S105 N106	D33-H102 IonicContact OD1-CE1 3.77Å; D33-H102 IonicContact OD1-CG 3.36Å; D33-H102 IonicContact OD1-ND1 2.79Å; D33-H102 PolarHBondContact OD1-ND1 3.32Å; D33-H102 IonicContact OD2-CE1 3.99Å; D33-H102 IonicContact OD2-ND1 3.44Å; D33-H102 PolarHBondContact OD2-ND1 3.16Å; L69-H102 HydrophobicContact CD2-CB 3.69Å; L98-H102 PolarHBondContact O-N 3.02Å; Q99-H102 PolarHBondContact O-N 3.09Å; H102-K104 PolarHBondContact O-N 2.97Å; H102-S105 PolarHBondContact O-N 3.45Å; H102-N106 PolarHBondContact CD2-ND2 3.06Å; H102-N106 PolarHBondContact CE1-ND2 3.23Å; H102-N106 PolarHBondContact NE2-ND2 3.36Å; H102-N106 PolarHBondContact O-N 3.26Å; H102-N106 VanDerWaalsContact O-N 3.1Å
103	L	88.4	Confident	88.1	Confident	118 Å²	118	71.3 Å²	71.3	62%	0.618	39%	0.389	S	S	*	.	H	α-helix	trans	-61.9	-39.8	176.7	-66.6	173.9	0	0	0	113.2	Q99 Q101 S105 N106 A107	Q99-L103 WeakPolarHBondContact O-CG 3.42Å; Q99-L103 PolarHBondContact O-N 3.23Å; Q99-L103 VanDerWaalsContact O-N 3.16Å; Q101-L103 VanDerWaalsContact C-N 3.28Å; Q101-L103 PolarHBondContact O-N 2.94Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-N106 PolarHBondContact O-N 3.37Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 3.36Å
104	K	84.2	Confident	87.5	Confident	142 Å²	142	64.9 Å²	64.9	62%	0.617	37%	0.371	S	S	*	.	H	α-helix	trans	-64.8	-39.2	176.4	-72	173.9	-179.4	179.3	0	112	T100 Q101 H102 N106 A107 S108	T100-K104 WeakPolarHBondContact O-CG 3.41Å; T100-K104 PolarHBondContact O-N 3.34Å; Q101-K104 PolarHBondContact O-N 3.25Å; Q101-K104 VanDerWaalsContact O-N 3.15Å; H102-K104 PolarHBondContact O-N 2.97Å; K104-N106 VanDerWaalsContact C-N 3.34Å; K104-A107 PolarHBondContact O-N 2.74Å; K104-S108 PolarHBondContact O-OG 3.38Å
105	S	79.7	Confident	86.8	Confident	50 Å²	50	67.6 Å²	67.6	35%	0.35	39%	0.389	S	S	.	.	H	α-helix	trans	-68.2	-34.4	-179.2	-51.5	0	0	0	0	111.8	Q101 H102 L103	Q101-S105 PolarHBondContact O-N 3Å; Q101-S105 PolarHBondContact O-OG 3.15Å; H102-S105 PolarHBondContact O-N 3.45Å; L103-S105 VanDerWaalsContact C-N 3.33Å
106	N	77.4	Confident	86	Confident	104 Å²	104	72.7 Å²	72.7	56%	0.556	42%	0.418	S	S	*	.	H	α-helix	trans	-80.3	-15	176.8	-65.6	-20.6	0	0	0	114.2	H102 L103 K104	H102-N106 PolarHBondContact CD2-ND2 3.06Å; H102-N106 PolarHBondContact CE1-ND2 3.23Å; H102-N106 PolarHBondContact NE2-ND2 3.36Å; H102-N106 PolarHBondContact O-N 3.26Å; H102-N106 VanDerWaalsContact O-N 3.1Å; L103-N106 PolarHBondContact O-N 3.37Å; K104-N106 VanDerWaalsContact C-N 3.34Å
107	A	70.7	Confident	85.1	Confident	87 Å²	87	71.1 Å²	71.1	72%	0.719	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.2	-179	0	0	0	0	0	113.6	L103 K104	L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 3.36Å; K104-A107 PolarHBondContact O-N 2.74Å
108	S	55.6	Low	84	Confident	161 Å²	161	74.3 Å²	74.3	100%	1.126	44%	0.436	S	S	*	.			trans	-104.5	0	178.2	-55.2	0	0	0	0	110.5	K104	K104-S108 PolarHBondContact O-OG 3.38Å

Retrieved 108 of 108 residues in 118.7 ms (Link to these results)

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